5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide

C14H13ClN2O2 — CID 106834852

IUPAC5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cn2)c(C)cc1O
InChIInChI=1S/C14H13ClN2O2/c1-8-6-13(18)9(2)5-12(8)17-14(19)11-4-3-10(15)7-16-11/h3-7,18H,1-2H3,(H,17,19)
InChIKeyMVAXYAKWRUCPFU-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.31
Rot. Bonds2

About 5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide

5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 106834852) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide
PubChem CID106834852
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cn2)c(C)cc1O
InChIInChI=1S/C14H13ClN2O2/c1-8-6-13(18)9(2)5-12(8)17-14(19)11-4-3-10(15)7-16-11/h3-7,18H,1-2H3,(H,17,19)
InChIKeyMVAXYAKWRUCPFU-UHFFFAOYSA-N
XLogP3.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide
CID 103144520
5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 106834615
N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 136762067
2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
CID 106834696
5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide
CID 113238388
3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide
CID 106834998
2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 106834840
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
CID 167928774
2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
CID 106834566
5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414752
5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
CID 115116632

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide (CID 106834852) is 5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide is Cc1cc(NC(=O)c2ccc(Cl)cn2)c(C)cc1O.
What is the InChIKey of 5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is MVAXYAKWRUCPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-8-6-13(18)9(2)5-12(8)17-14(19)11-4-3-10(15)7-16-11/h3-7,18H,1-2H3,(H,17,19).
What are the key properties of 5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide?
5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 106834852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).